C134H201NO18S6 — CID 159728824
5-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,3-oxazole;1-cyclopentyloxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-cyclopentyloxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(cyclopropylmethoxy)-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(cyclopropylmethoxy)-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;2-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]furan (PubChem CID 159728824) has the molecular formula C134H201NO18S6 and a molecular weight of 2306.47 g/mol. Its IUPAC name is 5-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,3-oxazole;1-cyclopentyloxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-cyclopentyloxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(cyclopropylmethoxy)-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(cyclopropylmethoxy)-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;2-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]furan.
| Compound Name | 5-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,3-oxazole;1-cyclopentyloxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-cyclopentyloxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(cyclopropylmethoxy)-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(cyclopropylmethoxy)-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;2-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]furan |
|---|---|
| PubChem CID | 159728824 |
| Molecular Formula | C134H201NO18S6 |
| Molecular Weight | 2306.47 g/mol |
| Exact Mass | 2304.32 |
| IUPAC Name | 5-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-1,3-oxazole;1-cyclopentyloxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-cyclopentyloxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(cyclopropylmethoxy)-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(cyclopropylmethoxy)-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;2-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]furan |
| SMILES | CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(-c3cnco3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(-c3ccco3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(OC3CCCC3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(OCC3CC3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2cccc(OC3CCCC3)c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2cccc(OCC3CC3)c2)CC1 |
| InChI | InChI=1S/2C23H36O3S.C22H31NO3S.C22H34O3S.C22H30O3S.C22H34O3S/c1-18(2)27(24,25)17-21-14-11-19(12-15-21)10-13-20-6-5-9-23(16-20)26-22-7-3-4-8-22;1-18(2)27(24,25)17-21-11-9-19(10-12-21)7-8-20-13-15-23(16-14-20)26-22-5-3-4-6-22;1-22(2,3)27(24,25)15-19-8-6-17(7-9-19)4-5-18-10-12-20(13-11-18)21-14-23-16-26-21;1-17(2)26(23,24)16-21-9-5-18(6-10-21)3-4-19-11-13-22(14-12-19)25-15-20-7-8-20;1-17(2)26(23,24)16-20-9-7-18(8-10-20)5-6-19-11-13-21(14-12-19)22-4-3-15-25-22;1-17(2)26(23,24)16-21-12-7-18(8-13-21)6-9-19-4-3-5-22(14-19)25-15-20-10-11-20/h5-6,9,16,18-19,21-22H,3-4,7-8,10-15,17H2,1-2H3;13-16,18-19,21-22H,3-12,17H2,1-2H3;10-14,16-17,19H,4-9,15H2,1-3H3;11-14,17-18,20-21H,3-10,15-16H2,1-2H3;3-4,11-15,17-18,20H,5-10,16H2,1-2H3;3-5,14,17-18,20-21H,6-13,15-16H2,1-2H3 |
| InChIKey | NAZBUEDPXBXPKC-UHFFFAOYSA-N |
| XLogP | 32.02 |
| TPSA | 280.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 159 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2306.47 |
| LogP ≤ 5 | 32.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |